3-Chloro-5-(5-chloro-2-methoxybenzoyl)benzonitrile
Basic information
- CAS
329944-63-0- Standard SMILES
COc1ccc(Cl)cc1C(=O)c1cc(Cl)cc(C#N)c1- InChIKey
AOBVGWHEOIZDMM-UHFFFAOYSA-N- Molecular formula
- C15H9Cl2NO2
- Average molar mass
- 306.1 g/mol
- Monoisotopic mass
- 305.0010339
Names & identifiers
- Preferred name
- 3-Chloro-5-(5-chloro-2-methoxybenzoyl)benzonitrile
- IUPAC
- 3-chloro-5-(5-chloro-2-methoxybenzoyl)benzonitrile
Names & synonyms
3-chloro-5-(5-chloro-2-methoxybenzoyl)benzonitrile329944-63-0SCHEMBL14201809DTXSID301229353AKOS015965513DB-105477
Database identifiers
- CAS
329944-63-0- PubChem CID
- 11645184
- DTXSID
DTXSID301229353- EC Number
- 608-815-9
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 406
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Compound notes
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